(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one

C12H22O4Si — CID 10539160

IUPAC(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)C=CC1=O
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-9(13)6-7-11(14)16-10/h6-7,10-11,14H,8H2,1-5H3/t10-,11+/m1/s1
InChIKeyIBGLPWIISFTPRP-MNOVXSKESA-N
MW258.39 g/mol
LogP1.85
Rot. Bonds3

About (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one

(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one (PubChem CID 10539160) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
PubChem CID10539160
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)C=CC1=O
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-9(13)6-7-11(14)16-10/h6-7,10-11,14H,8H2,1-5H3/t10-,11+/m1/s1
InChIKeyIBGLPWIISFTPRP-MNOVXSKESA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-6-(hydroxymethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2H-pyran-5-one
CID 137648350
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-isopentyloxy-2H-pyran-5-one
CID 53304832
(2S,6R)-6-(hydroxymethyl)-2-isobutoxy-2H-pyran-5-one
CID 53305124
(2R,6R)-2-tert-butoxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 53305125
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11368925
tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 11439780
(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
CID 164674456
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11097256
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 72819931
2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one
CID 175047820
(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 10515388
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one
CID 10685382

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one (CID 10539160) is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)C=CC1=O.
What is the InChIKey of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
The InChIKey is IBGLPWIISFTPRP-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-9(13)6-7-11(14)16-10/h6-7,10-11,14H,8H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one has a molecular weight of 258.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 10539160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).